Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCC3(N)COC3)c2c1- InChIKey
QMPZTUPLIOCTNC-UHFFFAOYSA-N- Molecular formula
- C23H26N4O3S
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.17256188
Names & identifiers
- Preferred name
- Syncytial Virus Inhibitor-1
- IUPAC
- N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinolin-4-amine
Names & synonyms
Syncytial Virus Inhibitor-11422496-79-4RSV inhibitor compound 14-(4-(((3-aminooxetan-3-yl)methyl)amino)-6-methylquinolin-2-yl)-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxideorb1708440CHEMBL4532497SCHEMBL14691943SCHEMBL30365703TQR0301QMPZTUPLIOCTNC-UHFFFAOYSA-NXGC49679AKOS040739526
Show more names
DA-57552HY-119375CS-0067949T130464-(4-(((3-Aminooxetan-3-yl)methyl)amino)-6-methylquinolin-2-yl)-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide, >98% (HPLC)N-[(3-Amino oxetan-3-yl)methyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-amine
Database identifiers
- PubChem CID
- 71255246
- ChEMBL
CHEMBL4532497
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 738
Related reactions
2 records
Compound notes
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